3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H22N6O2 — CID 9238289

IUPAC3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1/N=C\C=C\c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H22N6O2/c27-18-20(11-5-2-6-12-20)22-19(28)26(18)21-13-7-10-17-15-25(24-23-17)14-16-8-3-1-4-9-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,28)/b10-7+,21-13-
InChIKeyZRWPSBLJTMGABF-VIBAAIGISA-N
MW378.44 g/mol
LogP2.58
Rot. Bonds5

About 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9238289) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9238289
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1/N=C\C=C\c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H22N6O2/c27-18-20(11-5-2-6-12-20)22-19(28)26(18)21-13-7-10-17-15-25(24-23-17)14-16-8-3-1-4-9-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,28)/b10-7+,21-13-
InChIKeyZRWPSBLJTMGABF-VIBAAIGISA-N
XLogP2.58
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9238289) is 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1/N=C\C=C\c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZRWPSBLJTMGABF-VIBAAIGISA-N. The full InChI is InChI=1S/C20H22N6O2/c27-18-20(11-5-2-6-12-20)22-19(28)26(18)21-13-7-10-17-15-25(24-23-17)14-16-8-3-1-4-9-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,28)/b10-7+,21-13-.
What are the key properties of 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 378.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9238289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).